SpectraBase Compound ID | 8DqnLi2JDow |
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InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7-/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1/i20D |
InChIKey | OSELKOCHBMDKEJ-BSDYIMIDSA-N |
Mol Weight | 413.7 g/mol |
Molecular Formula | C29H472DO |
Exact Mass | 413.376793 g/mol |
SpectraBase Spectrum ID | 3JiyC0ZPw9W |
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Name | (20R,24Z)-Stigmasta-5,24(28)-diene-3.beta.-ol-20-D |
CAS Registry Number | 70209-30-2 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C29H47DO |
InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7-/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1/i20D |
InChIKey | OSELKOCHBMDKEJ-BSDYIMIDSA-N |
Molecular Weight | 413.708 g/mol |
SMILES | O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CC\C(=C\C)C(C)C)(C)[2D])[H])[H])C)[H])C)[H] |
SPLASH | splash10-03di-0049000000-ab633afecd4ff1569d97 |
Source of Spectrum | J-44-2455-0 |
Wiley ID | 1374857 |